3-[(4-O-Acetyl-6-deoxy-α-L-mannopyranosyl)oxy]-7-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one

CAS Registry Number®

104594-65-2

CAS Name

3-[(4-O-Acetyl-6-deoxy-α-L-mannopyranosyl)oxy]-7-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one

Molecular Formula

C29H32O16

Molecular Mass

636.55

Cite this Page

3-[(4-O-Acetyl-6-deoxy-α-L-mannopyranosyl)oxy]-7-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=104594-65-2 (retrieved 2024-11-22) (CAS RN: 104594-65-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H32O16/c1-9-19(34)21(36)23(38)28(40-9)43-13-7-16(33)18-17(8-13)44-26(12-4-5-14(31)15(32)6-12)27(20(18)35)45-29-24(39)22(37)25(10(2)41-29)42-11(3)30/h4-10,19,21-25,28-29,31-34,36-39H,1-3H3/t9-,10-,19-,21+,22-,23+,24+,25-,28-,29-/m0/s1

InChIKey

InChIKey=HXCHGMPJLNBHOE-FYZJUYPRSA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)C2)C4=CC(O)=C(O)C=C4)[C@H]5[C@H](O)[C@H](O)[C@@H](OC(C)=O)[C@H](C)O5

Canonical SMILES

O=C(OC1C(O)C(O)C(OC=2C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O)C=C3OC2C=5C=CC(O)=C(O)C5)OC1C)C

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-[(4-O-acetyl-6-deoxy-α-L-mannopyranosyl)oxy]-7-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-
  • 3-[(4-O-Acetyl-6-deoxy-α-L-mannopyranosyl)oxy]-7-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one

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